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Compile Data Set for Download or QSAR

Found 205 hits Enz. Inhib. hit(s) with Target = 'Cyclooxygenase' AND taxid = 9913   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cyclooxygenase


(Bos taurus)
BDBM50247597
PNG
(4,5-Bis(4-methoxyphenyl)-3H-1,2-dithiol-3-one | CH...)
Show SMILES COc1ccc(cc1)-c1ssc(=O)c1-c1ccc(OC)cc1
Show InChI InChI=1S/C17H14O3S2/c1-19-13-7-3-11(4-8-13)15-16(21-22-17(15)18)12-5-9-14(20-2)10-6-12/h3-10H,1-2H3
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n/an/a 0.300n/an/an/an/an/an/a



Johannes Gutenberg-University

Curated by ChEMBL


Assay Description
Inhibition of COX1 in bovine platelets assessed as formation of 12-hydroxyheptadecatrienoic acid by HPLC


Bioorg Med Chem 17: 558-68 (2009)


Article DOI: 10.1016/j.bmc.2008.11.074
BindingDB Entry DOI: 10.7270/Q2X92B4S
More data for this
Ligand-Target Pair
Cyclooxygenase


(Bos taurus)
BDBM50247826
PNG
(4,5-bis(4-methoxyphenyl)isothiazole | CHEMBL473946)
Show SMILES COc1ccc(cc1)-c1cnsc1-c1ccc(OC)cc1
Show InChI InChI=1S/C17H15NO2S/c1-19-14-7-3-12(4-8-14)16-11-18-21-17(16)13-5-9-15(20-2)10-6-13/h3-11H,1-2H3
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n/an/a 3n/an/an/an/an/an/a



Johannes Gutenberg-University

Curated by ChEMBL


Assay Description
Inhibition of COX1 in bovine platelets assessed as formation of 12-hydroxyheptadecatrienoic acid by HPLC


Bioorg Med Chem 17: 558-68 (2009)


Article DOI: 10.1016/j.bmc.2008.11.074
BindingDB Entry DOI: 10.7270/Q2X92B4S
More data for this
Ligand-Target Pair
Cyclooxygenase


(Bos taurus)
BDBM13066
PNG
(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
Show SMILES OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl
Show InChI InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)
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n/an/a 3n/an/an/an/an/an/a



Johannes Gutenberg-University

Curated by ChEMBL


Assay Description
Inhibition of COX1 in bovine platelets assessed as formation of 12-hydroxyheptadecatrienoic acid by HPLC


Bioorg Med Chem 17: 558-68 (2009)


Article DOI: 10.1016/j.bmc.2008.11.074
BindingDB Entry DOI: 10.7270/Q2X92B4S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclooxygenase-2


(Bos taurus)
BDBM50129504
PNG
(6-Ethylsulfanyl-3-(4-methanesulfonyl-phenyl)-4-phe...)
Show SMILES CCSc1cc(-c2ccccc2)c(-c2ccc(cc2)S(C)(=O)=O)c(=O)o1
Show InChI InChI=1S/C20H18O4S2/c1-3-25-18-13-17(14-7-5-4-6-8-14)19(20(21)24-18)15-9-11-16(12-10-15)26(2,22)23/h4-13H,3H2,1-2H3
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n/an/a 3.20n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against prostaglandin G/H synthase 2 (COX-2)


J Med Chem 46: 4872-82 (2003)


Article DOI: 10.1021/jm0302391
BindingDB Entry DOI: 10.7270/Q20V8DHZ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Bos taurus)
BDBM17638
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
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n/an/a 4.10n/an/an/an/an/an/a



University of Hamburg

Curated by ChEMBL


Assay Description
Inhibition of bovine COX1 assessed as inhibition of calcium ionophore A23187-induced 12-hydroxyheptadecatrienoic acid formation by reverse-phase HPLC...


Bioorg Med Chem Lett 22: 5031-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.012
BindingDB Entry DOI: 10.7270/Q27P90GC
More data for this
Ligand-Target Pair
Cyclooxygenase


(Bos taurus)
BDBM50247901
PNG
(4-(4-Chlorophenyl)-5-p-tolyl-3H-1,2-dithiole-3-thi...)
Show SMILES Cc1ccc(cc1)-c1ssc(=S)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H11ClS3/c1-10-2-4-12(5-3-10)15-14(16(18)20-19-15)11-6-8-13(17)9-7-11/h2-9H,1H3
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n/an/a 6n/an/an/an/an/an/a



Johannes Gutenberg-University

Curated by ChEMBL


Assay Description
Inhibition of COX1 in bovine platelets assessed as formation of 12-hydroxyheptadecatrienoic acid by HPLC


Bioorg Med Chem 17: 558-68 (2009)


Article DOI: 10.1016/j.bmc.2008.11.074
BindingDB Entry DOI: 10.7270/Q2X92B4S
More data for this
Ligand-Target Pair
Cyclooxygenase


(Bos taurus)
BDBM50245432
PNG
(4,5-Bis(4-methoxyphenyl)-1,2-selenazole | CHEMBL47...)
Show SMILES COc1ccc(cc1)-c1cn[se]c1-c1ccc(OC)cc1
Show InChI InChI=1S/C17H15NO2Se/c1-19-14-7-3-12(4-8-14)16-11-18-21-17(16)13-5-9-15(20-2)10-6-13/h3-11H,1-2H3
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n/an/a 6n/an/an/an/an/an/a



Johannes Gutenberg University

Curated by ChEMBL


Assay Description
Inhibition of bovine COX1


Eur J Med Chem 43: 1152-9 (2008)


Article DOI: 10.1016/j.ejmech.2007.09.007
BindingDB Entry DOI: 10.7270/Q2MG7QDR
More data for this
Ligand-Target Pair
Cyclooxygenase


(Bos taurus)
BDBM50247827
PNG
(5-(4-methoxyphenyl)-4-p-tolylisothiazole | CHEMBL5...)
Show SMILES COc1ccc(cc1)-c1sncc1-c1ccc(C)cc1
Show InChI InChI=1S/C17H15NOS/c1-12-3-5-13(6-4-12)16-11-18-20-17(16)14-7-9-15(19-2)10-8-14/h3-11H,1-2H3
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n/an/a 10n/an/an/an/an/an/a



Johannes Gutenberg-University

Curated by ChEMBL


Assay Description
Inhibition of COX1 in bovine platelets assessed as formation of 12-hydroxyheptadecatrienoic acid by HPLC


Bioorg Med Chem 17: 558-68 (2009)


Article DOI: 10.1016/j.bmc.2008.11.074
BindingDB Entry DOI: 10.7270/Q2X92B4S
More data for this
Ligand-Target Pair
Cyclooxygenase


(RAT)
BDBM50076661
PNG
(CHEMBL177727 | N-{1-Ethyl-3-[1-(4-methoxy-phenyl)-...)
Show SMILES CCC(C#Cc1cc(-c2ccc(C)cc2)n(n1)-c1ccc(OC)cc1)N(O)C(C)=O
Show InChI InChI=1S/C24H25N3O3/c1-5-21(27(29)18(3)28)11-10-20-16-24(19-8-6-17(2)7-9-19)26(25-20)22-12-14-23(30-4)15-13-22/h6-9,12-16,21,29H,5H2,1-4H3
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The R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Cyclooxygenase (COX) using broken rat barophilic leukemia cells (RBL-1)


Bioorg Med Chem Lett 9: 979-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00117-1
BindingDB Entry DOI: 10.7270/Q2Z31XV3
More data for this
Ligand-Target Pair
Cyclooxygenase


(Bos taurus)
BDBM50245465
PNG
(5-(4-Chlorophenyl)-4-(4-methoxyphenyl)-1,2-selenaz...)
Show SMILES COc1ccc(cc1)-c1cn[se]c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H12ClNOSe/c1-19-14-8-4-11(5-9-14)15-10-18-20-16(15)12-2-6-13(17)7-3-12/h2-10H,1H3
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n/an/a 10n/an/an/an/an/an/a



Johannes Gutenberg University

Curated by ChEMBL


Assay Description
Inhibition of bovine COX1


Eur J Med Chem 43: 1152-9 (2008)


Article DOI: 10.1016/j.ejmech.2007.09.007
BindingDB Entry DOI: 10.7270/Q2MG7QDR
More data for this
Ligand-Target Pair
Cyclooxygenase


(RAT)
BDBM50076666
PNG
(CHEMBL175153 | N-Hydroxy-N-{3-[1-(4-methoxy-phenyl...)
Show SMILES COc1ccc(cc1)-n1nc(cc1-c1ccc(C)cc1)C#CC(C)N(O)C(C)=O
Show InChI InChI=1S/C23H23N3O3/c1-16-5-8-19(9-6-16)23-15-20(10-7-17(2)26(28)18(3)27)24-25(23)21-11-13-22(29-4)14-12-21/h5-6,8-9,11-15,17,28H,1-4H3
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The R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Cyclooxygenase (COX) using broken rat barophilic leukemia cells (RBL-1)


Bioorg Med Chem Lett 9: 979-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00117-1
BindingDB Entry DOI: 10.7270/Q2Z31XV3
More data for this
Ligand-Target Pair
Cyclooxygenase


(Bos taurus)
BDBM50247578
PNG
(4-(4-Chlorophenyl)-5-p-tolyl-3H-1,2-dithiol-3-one ...)
Show SMILES Cc1ccc(cc1)-c1ssc(=O)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H11ClOS2/c1-10-2-4-12(5-3-10)15-14(16(18)20-19-15)11-6-8-13(17)9-7-11/h2-9H,1H3
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n/an/a 20n/an/an/an/an/an/a



Johannes Gutenberg-University

Curated by ChEMBL


Assay Description
Inhibition of COX1 in bovine platelets assessed as formation of 12-hydroxyheptadecatrienoic acid by HPLC


Bioorg Med Chem 17: 558-68 (2009)


Article DOI: 10.1016/j.bmc.2008.11.074
BindingDB Entry DOI: 10.7270/Q2X92B4S
More data for this
Ligand-Target Pair
Cyclooxygenase


(Bos taurus)
BDBM50247851
PNG
(4-(4-Chlorophenyl)-5-(4-methoxyphenyl)isothiazole ...)
Show SMILES COc1ccc(cc1)-c1sncc1-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H12ClNOS/c1-19-14-8-4-12(5-9-14)16-15(10-18-20-16)11-2-6-13(17)7-3-11/h2-10H,1H3
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n/an/a 20n/an/an/an/an/an/a



Johannes Gutenberg-University

Curated by ChEMBL


Assay Description
Inhibition of COX1 in bovine platelets assessed as formation of 12-hydroxyheptadecatrienoic acid by HPLC


Bioorg Med Chem 17: 558-68 (2009)


Article DOI: 10.1016/j.bmc.2008.11.074
BindingDB Entry DOI: 10.7270/Q2X92B4S
More data for this
Ligand-Target Pair
Cyclooxygenase


(Bos taurus)
BDBM50245466
PNG
(4-(4-Chlorophenyl)-5-(4-methoxyphenyl)-1,2-selenaz...)
Show SMILES COc1ccc(cc1)-c1[se]ncc1-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H12ClNOSe/c1-19-14-8-4-12(5-9-14)16-15(10-18-20-16)11-2-6-13(17)7-3-11/h2-10H,1H3
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n/an/a 20n/an/an/an/an/an/a



Johannes Gutenberg University

Curated by ChEMBL


Assay Description
Inhibition of bovine COX1


Eur J Med Chem 43: 1152-9 (2008)


Article DOI: 10.1016/j.ejmech.2007.09.007
BindingDB Entry DOI: 10.7270/Q2MG7QDR
More data for this
Ligand-Target Pair
Cyclooxygenase


(Bos taurus)
BDBM50245433
PNG
(5-(4-Methoxyphenyl)-4-p-tolyl-1,2-selenazole | CHE...)
Show SMILES COc1ccc(cc1)-c1[se]ncc1-c1ccc(C)cc1
Show InChI InChI=1S/C17H15NOSe/c1-12-3-5-13(6-4-12)16-11-18-20-17(16)14-7-9-15(19-2)10-8-14/h3-11H,1-2H3
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n/an/a 20n/an/an/an/an/an/a



Johannes Gutenberg University

Curated by ChEMBL


Assay Description
Inhibition of bovine COX1


Eur J Med Chem 43: 1152-9 (2008)


Article DOI: 10.1016/j.ejmech.2007.09.007
BindingDB Entry DOI: 10.7270/Q2MG7QDR
More data for this
Ligand-Target Pair
Cyclooxygenase


(Bos taurus)
BDBM50247902
PNG
(4,5-bis(4-methoxyphenyl)-3H-1,2-dithiole-3-thione ...)
Show SMILES COc1ccc(cc1)-c1ssc(=S)c1-c1ccc(OC)cc1
Show InChI InChI=1S/C17H14O2S3/c1-18-13-7-3-11(4-8-13)15-16(21-22-17(15)20)12-5-9-14(19-2)10-6-12/h3-10H,1-2H3
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n/an/a 30n/an/an/an/an/an/a



Johannes Gutenberg-University

Curated by ChEMBL


Assay Description
Inhibition of COX1 in bovine platelets assessed as formation of 12-hydroxyheptadecatrienoic acid by HPLC


Bioorg Med Chem 17: 558-68 (2009)


Article DOI: 10.1016/j.bmc.2008.11.074
BindingDB Entry DOI: 10.7270/Q2X92B4S
More data for this
Ligand-Target Pair
Cyclooxygenase


(RAT)
BDBM50076659
PNG
(CHEMBL435907 | N-{3-[5-(4-Chloro-phenyl)-1-(4-meth...)
Show SMILES COc1ccc(cc1)-n1nc(cc1-c1ccc(Cl)cc1)C#CC(C)N(O)C(C)=O
Show InChI InChI=1S/C22H20ClN3O3/c1-15(26(28)16(2)27)4-9-19-14-22(17-5-7-18(23)8-6-17)25(24-19)20-10-12-21(29-3)13-11-20/h5-8,10-15,28H,1-3H3
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The R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Cyclooxygenase (COX) using broken rat barophilic leukemia cells (RBL-1)


Bioorg Med Chem Lett 9: 979-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00117-1
BindingDB Entry DOI: 10.7270/Q2Z31XV3
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50076659
PNG
(CHEMBL435907 | N-{3-[5-(4-Chloro-phenyl)-1-(4-meth...)
Show SMILES COc1ccc(cc1)-n1nc(cc1-c1ccc(Cl)cc1)C#CC(C)N(O)C(C)=O
Show InChI InChI=1S/C22H20ClN3O3/c1-15(26(28)16(2)27)4-9-19-14-22(17-5-7-18(23)8-6-17)25(24-19)20-10-12-21(29-3)13-11-20/h5-8,10-15,28H,1-3H3
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n/an/a 30n/an/an/an/an/an/a



Organon Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against prostaglandin G/H synthase


J Med Chem 48: 6523-43 (2005)


Article DOI: 10.1021/jm058225d
BindingDB Entry DOI: 10.7270/Q2SF2WZ9
More data for this
Ligand-Target Pair
Cyclooxygenase


(RAT)
BDBM50076637
PNG
(CHEMBL369252 | N-Hydroxy-N-{3-[1-(4-methoxy-phenyl...)
Show SMILES COc1ccc(cc1)-n1nc(cc1-c1ccc(C)cc1)C#CCN(O)C(C)=O
Show InChI InChI=1S/C22H21N3O3/c1-16-6-8-18(9-7-16)22-15-19(5-4-14-24(27)17(2)26)23-25(22)20-10-12-21(28-3)13-11-20/h6-13,15,27H,14H2,1-3H3
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The R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-lipoxygenase (5-LO) in intact rat barophilic leukemia cells (RBL-1)


Bioorg Med Chem Lett 9: 979-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00117-1
BindingDB Entry DOI: 10.7270/Q2Z31XV3
More data for this
Ligand-Target Pair
Cyclooxygenase


(RAT)
BDBM50076650
PNG
(CHEMBL368682 | N-Hydroxy-N-{3-[1-(4-methoxy-phenyl...)
Show SMILES COc1ccc(cc1)-n1nc(cc1-c1ccc(C)cc1)C#CC(C)N(O)C(=O)C(C)C
Show InChI InChI=1S/C25H27N3O3/c1-17(2)25(29)28(30)19(4)8-11-21-16-24(20-9-6-18(3)7-10-20)27(26-21)22-12-14-23(31-5)15-13-22/h6-7,9-10,12-17,19,30H,1-5H3
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n/an/a 40n/an/an/an/an/an/a



The R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-lipoxygenase (5-LO) in intact rat barophilic leukemia cells (RBL-1)


Bioorg Med Chem Lett 9: 979-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00117-1
BindingDB Entry DOI: 10.7270/Q2Z31XV3
More data for this
Ligand-Target Pair
Cyclooxygenase


(Bos taurus)
BDBM50247847
PNG
(5-(4-Chlorophenyl)-4-p-tolylisothiazole | CHEMBL52...)
Show SMILES Cc1ccc(cc1)-c1cnsc1-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H12ClNS/c1-11-2-4-12(5-3-11)15-10-18-19-16(15)13-6-8-14(17)9-7-13/h2-10H,1H3
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n/an/a 40n/an/an/an/an/an/a



Johannes Gutenberg-University

Curated by ChEMBL


Assay Description
Inhibition of COX1 in bovine platelets assessed as formation of 12-hydroxyheptadecatrienoic acid by HPLC


Bioorg Med Chem 17: 558-68 (2009)


Article DOI: 10.1016/j.bmc.2008.11.074
BindingDB Entry DOI: 10.7270/Q2X92B4S
More data for this
Ligand-Target Pair
Cyclooxygenase


(Bos taurus)
BDBM50245435
PNG
(4-(4-Chlorophenyl)-5-p-tolyl-1,2-selenazole | CHEM...)
Show SMILES Cc1ccc(cc1)-c1[se]ncc1-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H12ClNSe/c1-11-2-4-13(5-3-11)16-15(10-18-19-16)12-6-8-14(17)9-7-12/h2-10H,1H3
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n/an/a 50n/an/an/an/an/an/a



Johannes Gutenberg University

Curated by ChEMBL


Assay Description
Inhibition of bovine COX1


Eur J Med Chem 43: 1152-9 (2008)


Article DOI: 10.1016/j.ejmech.2007.09.007
BindingDB Entry DOI: 10.7270/Q2MG7QDR
More data for this
Ligand-Target Pair
Cyclooxygenase


(RAT)
BDBM50076642
PNG
(2,2,2-Trifluoro-N-hydroxy-N-{3-[1-(4-methoxy-pheny...)
Show SMILES COc1ccc(cc1)-n1nc(cc1-c1ccc(C)cc1)C#CC(C)N(O)C(=O)C(F)(F)F
Show InChI InChI=1S/C23H20F3N3O3/c1-15-4-7-17(8-5-15)21-14-18(9-6-16(2)29(31)22(30)23(24,25)26)27-28(21)19-10-12-20(32-3)13-11-19/h4-5,7-8,10-14,16,31H,1-3H3
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n/an/a 50n/an/an/an/an/an/a



The R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Cyclooxygenase (COX) using broken rat barophilic leukemia cells (RBL-1)


Bioorg Med Chem Lett 9: 979-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00117-1
BindingDB Entry DOI: 10.7270/Q2Z31XV3
More data for this
Ligand-Target Pair
Cyclooxygenase-2


(Bos taurus)
BDBM11639
PNG
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
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n/an/a 57n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against prostaglandin G/H synthase 2 (COX-2)


J Med Chem 46: 4872-82 (2003)


Article DOI: 10.1021/jm0302391
BindingDB Entry DOI: 10.7270/Q20V8DHZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclooxygenase


(RAT)
BDBM50076640
PNG
(CHEMBL173133 | N-Hydroxy-N-{3-[1-(4-methoxy-phenyl...)
Show SMILES CCC(=O)N(O)CC#Cc1cc(-c2ccc(C)cc2)n(n1)-c1ccc(OC)cc1
Show InChI InChI=1S/C23H23N3O3/c1-4-23(27)25(28)15-5-6-19-16-22(18-9-7-17(2)8-10-18)26(24-19)20-11-13-21(29-3)14-12-20/h7-14,16,28H,4,15H2,1-3H3
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n/an/a 60n/an/an/an/an/an/a



The R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against cyclooxygenase (COX) in intact rat barophilic leukemia cells (RBL-1)


Bioorg Med Chem Lett 9: 979-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00117-1
BindingDB Entry DOI: 10.7270/Q2Z31XV3
More data for this
Ligand-Target Pair
Cyclooxygenase


(RAT)
BDBM50076639
PNG
(CHEMBL367010 | N-{3-[5-(4-Ethyl-phenyl)-1-(4-metho...)
Show SMILES CCc1ccc(cc1)-c1cc(nn1-c1ccc(OC)cc1)C#CC(C)N(O)C(C)=O
Show InChI InChI=1S/C24H25N3O3/c1-5-19-7-9-20(10-8-19)24-16-21(11-6-17(2)27(29)18(3)28)25-26(24)22-12-14-23(30-4)15-13-22/h7-10,12-17,29H,5H2,1-4H3
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n/an/a 60n/an/an/an/an/an/a



The R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Cyclooxygenase (COX) using broken rat barophilic leukemia cells (RBL-1)


Bioorg Med Chem Lett 9: 979-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00117-1
BindingDB Entry DOI: 10.7270/Q2Z31XV3
More data for this
Ligand-Target Pair
Cyclooxygenase


(Bos taurus)
BDBM50247850
PNG
(5-(4-Chlorophenyl)-4-(4-methoxyphenyl)isothiazole ...)
Show SMILES COc1ccc(cc1)-c1cnsc1-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H12ClNOS/c1-19-14-8-4-11(5-9-14)15-10-18-20-16(15)12-2-6-13(17)7-3-12/h2-10H,1H3
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n/an/a 70n/an/an/an/an/an/a



Johannes Gutenberg-University

Curated by ChEMBL


Assay Description
Inhibition of COX1 in bovine platelets assessed as formation of 12-hydroxyheptadecatrienoic acid by HPLC


Bioorg Med Chem 17: 558-68 (2009)


Article DOI: 10.1016/j.bmc.2008.11.074
BindingDB Entry DOI: 10.7270/Q2X92B4S
More data for this
Ligand-Target Pair
Cyclooxygenase


(RAT)
BDBM50076650
PNG
(CHEMBL368682 | N-Hydroxy-N-{3-[1-(4-methoxy-phenyl...)
Show SMILES COc1ccc(cc1)-n1nc(cc1-c1ccc(C)cc1)C#CC(C)N(O)C(=O)C(C)C
Show InChI InChI=1S/C25H27N3O3/c1-17(2)25(29)28(30)19(4)8-11-21-16-24(20-9-6-18(3)7-10-20)27(26-21)22-12-14-23(31-5)15-13-22/h6-7,9-10,12-17,19,30H,1-5H3
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n/an/a 90n/an/an/an/an/an/a



The R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-lipoxygenase (5-LO) in intact rat barophilic leukemia cells (RBL-1)


Bioorg Med Chem Lett 9: 979-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00117-1
BindingDB Entry DOI: 10.7270/Q2Z31XV3
More data for this
Ligand-Target Pair
Cyclooxygenase


(Bos taurus)
BDBM50247849
PNG
(4,5-Bis(4-chlorophenyl)isothiazole | CHEMBL491088)
Show SMILES Clc1ccc(cc1)-c1cnsc1-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H9Cl2NS/c16-12-5-1-10(2-6-12)14-9-18-19-15(14)11-3-7-13(17)8-4-11/h1-9H
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n/an/a 100n/an/an/an/an/an/a



Johannes Gutenberg-University

Curated by ChEMBL


Assay Description
Inhibition of COX1 in bovine platelets assessed as formation of 12-hydroxyheptadecatrienoic acid by HPLC


Bioorg Med Chem 17: 558-68 (2009)


Article DOI: 10.1016/j.bmc.2008.11.074
BindingDB Entry DOI: 10.7270/Q2X92B4S
More data for this
Ligand-Target Pair
Cyclooxygenase


(RAT)
BDBM22971
PNG
(2-[(2,6-dichloro-3-methylphenyl)amino]benzoic acid...)
Show SMILES Cc1ccc(Cl)c(Nc2ccccc2C(O)=O)c1Cl
Show InChI InChI=1S/C14H11Cl2NO2/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19/h2-7,17H,1H3,(H,18,19)
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n/an/a 100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated in an intact RBL-1 cell line for inhibition of 5-Cyclooxygenase


Bioorg Med Chem Lett 2: 69-72 (1992)


Article DOI: 10.1016/S0960-894X(00)80657-5
BindingDB Entry DOI: 10.7270/Q29K4B4Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclooxygenase


(RAT)
BDBM22971
PNG
(2-[(2,6-dichloro-3-methylphenyl)amino]benzoic acid...)
Show SMILES Cc1ccc(Cl)c(Nc2ccccc2C(O)=O)c1Cl
Show InChI InChI=1S/C14H11Cl2NO2/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19/h2-7,17H,1H3,(H,18,19)
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n/an/a 100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 3 receptor in rat posterior cortex by [3H]-BRL 43694 displacement.


Bioorg Med Chem Lett 2: 705-708 (1992)


Article DOI: 10.1016/S0960-894X(00)80396-0
BindingDB Entry DOI: 10.7270/Q26H4HBV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclooxygenase-2


(Bos taurus)
BDBM50134831
PNG
(6-Ethoxy-4-(4-fluoro-phenyl)-3-(4-methanesulfonyl-...)
Show SMILES CCOc1cc(-c2ccc(F)cc2)c(-c2ccc(cc2)S(C)(=O)=O)c(=O)o1
Show InChI InChI=1S/C20H17FO5S/c1-3-25-18-12-17(13-4-8-15(21)9-5-13)19(20(22)26-18)14-6-10-16(11-7-14)27(2,23)24/h4-12H,3H2,1-2H3
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n/an/a 100n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against prostaglandin G/H synthase 2 (COX-2)


J Med Chem 46: 4872-82 (2003)


Article DOI: 10.1021/jm0302391
BindingDB Entry DOI: 10.7270/Q20V8DHZ
More data for this
Ligand-Target Pair
Cyclooxygenase


(RAT)
BDBM50076666
PNG
(CHEMBL175153 | N-Hydroxy-N-{3-[1-(4-methoxy-phenyl...)
Show SMILES COc1ccc(cc1)-n1nc(cc1-c1ccc(C)cc1)C#CC(C)N(O)C(C)=O
Show InChI InChI=1S/C23H23N3O3/c1-16-5-8-19(9-6-16)23-15-20(10-7-17(2)26(28)18(3)27)24-25(23)21-11-13-22(29-4)14-12-21/h5-6,8-9,11-15,17,28H,1-4H3
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n/an/a 110n/an/an/an/an/an/a



The R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against cyclooxygenase (COX) in intact rat barophilic leukemia cells (RBL-1)


Bioorg Med Chem Lett 9: 979-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00117-1
BindingDB Entry DOI: 10.7270/Q2Z31XV3
More data for this
Ligand-Target Pair
Cyclooxygenase


(RAT)
BDBM50076662
PNG
(CHEMBL174684 | methyl 1-methyl-3-[1-(4-methoxyphen...)
Show SMILES COC(=O)N(O)C(C)C#Cc1cc(-c2ccc(C)cc2)n(n1)-c1ccc(OC)cc1
Show InChI InChI=1S/C23H23N3O4/c1-16-5-8-18(9-6-16)22-15-19(10-7-17(2)26(28)23(27)30-4)24-25(22)20-11-13-21(29-3)14-12-20/h5-6,8-9,11-15,17,28H,1-4H3
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n/an/a 140n/an/an/an/an/an/a



The R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Cyclooxygenase (COX) using broken rat barophilic leukemia cells (RBL-1)


Bioorg Med Chem Lett 9: 979-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00117-1
BindingDB Entry DOI: 10.7270/Q2Z31XV3
More data for this
Ligand-Target Pair
Cyclooxygenase


(Bos taurus)
BDBM50038649
PNG
(2-(6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-2,3-di...)
Show SMILES CC1(C)Cc2c(c(c(CC(O)=O)n2C1)-c1ccc(Cl)cc1)-c1ccccc1
Show InChI InChI=1S/C23H22ClNO2/c1-23(2)13-19-22(15-6-4-3-5-7-15)21(16-8-10-17(24)11-9-16)18(12-20(26)27)25(19)14-23/h3-11H,12-14H2,1-2H3,(H,26,27)
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n/an/a 150n/an/an/an/an/an/a



University of Hamburg

Curated by ChEMBL


Assay Description
Inhibition of bovine COX1 assessed as inhibition of calcium ionophore A23187-induced 12-hydroxyheptadecatrienoic acid formation by reverse-phase HPLC...


Bioorg Med Chem Lett 22: 5031-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.012
BindingDB Entry DOI: 10.7270/Q27P90GC
More data for this
Ligand-Target Pair
Cyclooxygenase


(RAT)
BDBM50076659
PNG
(CHEMBL435907 | N-{3-[5-(4-Chloro-phenyl)-1-(4-meth...)
Show SMILES COc1ccc(cc1)-n1nc(cc1-c1ccc(Cl)cc1)C#CC(C)N(O)C(C)=O
Show InChI InChI=1S/C22H20ClN3O3/c1-15(26(28)16(2)27)4-9-19-14-22(17-5-7-18(23)8-6-17)25(24-19)20-10-12-21(29-3)13-11-20/h5-8,10-15,28H,1-3H3
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n/an/a 160n/an/an/an/an/an/a



The R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against cyclooxygenase (COX) in intact rat barophilic leukemia cells (RBL-1)


Bioorg Med Chem Lett 9: 979-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00117-1
BindingDB Entry DOI: 10.7270/Q2Z31XV3
More data for this
Ligand-Target Pair
Cyclooxygenase


(RAT)
BDBM50076641
PNG
(CHEMBL176844 | N-{3-[5-(4-Ethyl-phenyl)-1-(4-metho...)
Show SMILES CCc1ccc(cc1)-c1cc(nn1-c1ccc(OC)cc1)C#CC(C)N(O)C(=O)C(C)C
Show InChI InChI=1S/C26H29N3O3/c1-6-20-8-10-21(11-9-20)25-17-22(12-7-19(4)29(31)26(30)18(2)3)27-28(25)23-13-15-24(32-5)16-14-23/h8-11,13-19,31H,6H2,1-5H3
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n/an/a 180n/an/an/an/an/an/a



The R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against cyclooxygenase (COX) in intact rat barophilic leukemia cells (RBL-1)


Bioorg Med Chem Lett 9: 979-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00117-1
BindingDB Entry DOI: 10.7270/Q2Z31XV3
More data for this
Ligand-Target Pair
Cyclooxygenase


(RAT)
BDBM50280051
PNG
(5-[2-(3-Trifluoromethyl-phenylamino)-pyridin-3-yl]...)
Show SMILES FC(F)(F)c1cccc(Nc2ncccc2-c2nnc(S)o2)c1
Show InChI InChI=1S/C14H9F3N4OS/c15-14(16,17)8-3-1-4-9(7-8)19-11-10(5-2-6-18-11)12-20-21-13(23)22-12/h1-7H,(H,18,19)(H,21,23)
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n/an/a 190n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Cyclooxygenase was determined


Bioorg Med Chem Lett 2: 69-72 (1992)


Article DOI: 10.1016/S0960-894X(00)80657-5
BindingDB Entry DOI: 10.7270/Q29K4B4Q
More data for this
Ligand-Target Pair
Cyclooxygenase


(RAT)
BDBM50076642
PNG
(2,2,2-Trifluoro-N-hydroxy-N-{3-[1-(4-methoxy-pheny...)
Show SMILES COc1ccc(cc1)-n1nc(cc1-c1ccc(C)cc1)C#CC(C)N(O)C(=O)C(F)(F)F
Show InChI InChI=1S/C23H20F3N3O3/c1-15-4-7-17(8-5-15)21-14-18(9-6-16(2)29(31)22(30)23(24,25)26)27-28(21)19-10-12-20(32-3)13-11-19/h4-5,7-8,10-14,16,31H,1-3H3
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n/an/a 190n/an/an/an/an/an/a



The R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against cyclooxygenase (COX) in intact rat barophilic leukemia cells (RBL-1)


Bioorg Med Chem Lett 9: 979-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00117-1
BindingDB Entry DOI: 10.7270/Q2Z31XV3
More data for this
Ligand-Target Pair
Cyclooxygenase


(Bos taurus)
BDBM50245434
PNG
(5-(4-Chlorophenyl)-4-p-tolyl-1,2-selenazole | CHEM...)
Show SMILES Cc1ccc(cc1)-c1cn[se]c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H12ClNSe/c1-11-2-4-12(5-3-11)15-10-18-19-16(15)13-6-8-14(17)9-7-13/h2-10H,1H3
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n/an/a 200n/an/an/an/an/an/a



Johannes Gutenberg University

Curated by ChEMBL


Assay Description
Inhibition of bovine COX1


Eur J Med Chem 43: 1152-9 (2008)


Article DOI: 10.1016/j.ejmech.2007.09.007
BindingDB Entry DOI: 10.7270/Q2MG7QDR
More data for this
Ligand-Target Pair
Cyclooxygenase


(Bos taurus)
BDBM50247577
PNG
(5-(4-Chlorophenyl)-4-p-tolyl-3H-1,2-dithiol-3-one ...)
Show SMILES Cc1ccc(cc1)-c1c(ssc1=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H11ClOS2/c1-10-2-4-11(5-3-10)14-15(19-20-16(14)18)12-6-8-13(17)9-7-12/h2-9H,1H3
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n/an/a 200n/an/an/an/an/an/a



Johannes Gutenberg-University

Curated by ChEMBL


Assay Description
Inhibition of COX1 in bovine platelets assessed as formation of 12-hydroxyheptadecatrienoic acid by HPLC


Bioorg Med Chem 17: 558-68 (2009)


Article DOI: 10.1016/j.bmc.2008.11.074
BindingDB Entry DOI: 10.7270/Q2X92B4S
More data for this
Ligand-Target Pair
Cyclooxygenase


(Bos taurus)
BDBM50038649
PNG
(2-(6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-2,3-di...)
Show SMILES CC1(C)Cc2c(c(c(CC(O)=O)n2C1)-c1ccc(Cl)cc1)-c1ccccc1
Show InChI InChI=1S/C23H22ClNO2/c1-23(2)13-19-22(15-6-4-3-5-7-15)21(16-8-10-17(24)11-9-16)18(12-20(26)27)25(19)14-23/h3-11H,12-14H2,1-2H3,(H,26,27)
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n/an/a 200n/an/an/an/an/an/a



Johannes Gutenberg-University

Curated by ChEMBL


Assay Description
Inhibition of COX1 in bovine platelets assessed as formation of 12-hydroxyheptadecatrienoic acid by HPLC


Bioorg Med Chem 17: 558-68 (2009)


Article DOI: 10.1016/j.bmc.2008.11.074
BindingDB Entry DOI: 10.7270/Q2X92B4S
More data for this
Ligand-Target Pair
Cyclooxygenase


(Bos taurus)
BDBM50245436
PNG
(4,5-Bis(4-chlorophenyl)-1,2-selenazole | CHEMBL501...)
Show SMILES Clc1ccc(cc1)-c1cn[se]c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H9Cl2NSe/c16-12-5-1-10(2-6-12)14-9-18-19-15(14)11-3-7-13(17)8-4-11/h1-9H
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n/an/a 200n/an/an/an/an/an/a



Johannes Gutenberg University

Curated by ChEMBL


Assay Description
Inhibition of bovine COX1


Eur J Med Chem 43: 1152-9 (2008)


Article DOI: 10.1016/j.ejmech.2007.09.007
BindingDB Entry DOI: 10.7270/Q2MG7QDR
More data for this
Ligand-Target Pair
Cyclooxygenase


(Bos taurus)
BDBM50247848
PNG
(4-(4-Chlorophenyl)-5-p-tolylisothiazole | CHEMBL49...)
Show SMILES Cc1ccc(cc1)-c1sncc1-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H12ClNS/c1-11-2-4-13(5-3-11)16-15(10-18-19-16)12-6-8-14(17)9-7-12/h2-10H,1H3
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n/an/a 200n/an/an/an/an/an/a



Johannes Gutenberg-University

Curated by ChEMBL


Assay Description
Inhibition of COX1 in bovine platelets assessed as formation of 12-hydroxyheptadecatrienoic acid by HPLC


Bioorg Med Chem 17: 558-68 (2009)


Article DOI: 10.1016/j.bmc.2008.11.074
BindingDB Entry DOI: 10.7270/Q2X92B4S
More data for this
Ligand-Target Pair
Cyclooxygenase


(RAT)
BDBM50076661
PNG
(CHEMBL177727 | N-{1-Ethyl-3-[1-(4-methoxy-phenyl)-...)
Show SMILES CCC(C#Cc1cc(-c2ccc(C)cc2)n(n1)-c1ccc(OC)cc1)N(O)C(C)=O
Show InChI InChI=1S/C24H25N3O3/c1-5-21(27(29)18(3)28)11-10-20-16-24(19-8-6-17(2)7-9-19)26(25-20)22-12-14-23(30-4)15-13-22/h6-9,12-16,21,29H,5H2,1-4H3
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n/an/a 220n/an/an/an/an/an/a



The R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against cyclooxygenase (COX) in intact rat barophilic leukemia cells (RBL-1)


Bioorg Med Chem Lett 9: 979-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00117-1
BindingDB Entry DOI: 10.7270/Q2Z31XV3
More data for this
Ligand-Target Pair
Cyclooxygenase


(RAT)
BDBM50048004
PNG
(5-(2-(3-(trifluoromethyl)phenylamino)phenyl)-1,3,4...)
Show SMILES FC(F)(F)c1cccc(Nc2ccccc2-c2nnc(S)o2)c1
Show InChI InChI=1S/C15H10F3N3OS/c16-15(17,18)9-4-3-5-10(8-9)19-12-7-2-1-6-11(12)13-20-21-14(23)22-13/h1-8,19H,(H,21,23)
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n/an/a 270n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Cyclooxygenase was determined


Bioorg Med Chem Lett 2: 69-72 (1992)


Article DOI: 10.1016/S0960-894X(00)80657-5
BindingDB Entry DOI: 10.7270/Q29K4B4Q
More data for this
Ligand-Target Pair
Cyclooxygenase


(RAT)
BDBM50076651
PNG
(CHEMBL174976 | methyl-3-[1-(4-methoxyphenyl)-5-(4-...)
Show SMILES COC(=O)N(O)CC#Cc1cc(-c2ccc(C)cc2)n(n1)-c1ccc(OC)cc1
Show InChI InChI=1S/C22H21N3O4/c1-16-6-8-17(9-7-16)21-15-18(5-4-14-24(27)22(26)29-3)23-25(21)19-10-12-20(28-2)13-11-19/h6-13,15,27H,14H2,1-3H3
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n/an/a 280n/an/an/an/an/an/a



The R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-lipoxygenase (5-LO) in intact rat barophilic leukemia cells (RBL-1)


Bioorg Med Chem Lett 9: 979-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00117-1
BindingDB Entry DOI: 10.7270/Q2Z31XV3
More data for this
Ligand-Target Pair
Cyclooxygenase


(RAT)
BDBM50076658
PNG
(CHEMBL174501 | methyl 3-[5-(4-chlorophenyl)-1-(4-m...)
Show SMILES COC(=O)N(O)C(C)C#Cc1cc(-c2ccc(Cl)cc2)n(n1)-c1ccc(OC)cc1
Show InChI InChI=1S/C22H20ClN3O4/c1-15(26(28)22(27)30-3)4-9-18-14-21(16-5-7-17(23)8-6-16)25(24-18)19-10-12-20(29-2)13-11-19/h5-8,10-15,28H,1-3H3
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n/an/a 290n/an/an/an/an/an/a



The R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against cyclooxygenase (COX) in intact rat barophilic leukemia cells (RBL-1)


Bioorg Med Chem Lett 9: 979-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00117-1
BindingDB Entry DOI: 10.7270/Q2Z31XV3
More data for this
Ligand-Target Pair
Cyclooxygenase


(RAT)
BDBM50076657
PNG
(CHEMBL368546 | N-hydroxy-N-{3-[1-(4-methoxyphenyl)...)
Show SMILES COc1ccc(cc1)-n1nc(cc1-c1ccc(C)cc1)C#CCN(O)C(N)=O
Show InChI InChI=1S/C21H20N4O3/c1-15-5-7-16(8-6-15)20-14-17(4-3-13-24(27)21(22)26)23-25(20)18-9-11-19(28-2)12-10-18/h5-12,14,27H,13H2,1-2H3,(H2,22,26)
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n/an/a 310n/an/an/an/an/an/a



The R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Cyclooxygenase (COX) using broken rat barophilic leukemia cells (RBL-1)


Bioorg Med Chem Lett 9: 979-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00117-1
BindingDB Entry DOI: 10.7270/Q2Z31XV3
More data for this
Ligand-Target Pair
Cyclooxygenase


(RAT)
BDBM50076639
PNG
(CHEMBL367010 | N-{3-[5-(4-Ethyl-phenyl)-1-(4-metho...)
Show SMILES CCc1ccc(cc1)-c1cc(nn1-c1ccc(OC)cc1)C#CC(C)N(O)C(C)=O
Show InChI InChI=1S/C24H25N3O3/c1-5-19-7-9-20(10-8-19)24-16-21(11-6-17(2)27(29)18(3)28)25-26(24)22-12-14-23(30-4)15-13-22/h7-10,12-17,29H,5H2,1-4H3
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n/an/a 340n/an/an/an/an/an/a



The R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against cyclooxygenase (COX) in intact rat barophilic leukemia cells (RBL-1)


Bioorg Med Chem Lett 9: 979-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00117-1
BindingDB Entry DOI: 10.7270/Q2Z31XV3
More data for this
Ligand-Target Pair
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